4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid

C13H15NO5 — CID 66221632

IUPAC4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(Cc1cccc(O)c1)NC1COCC1C(=O)O
InChIInChI=1S/C13H15NO5/c15-9-3-1-2-8(4-9)5-12(16)14-11-7-19-6-10(11)13(17)18/h1-4,10-11,15H,5-7H2,(H,14,16)(H,17,18)
InChIKeySPTXUIVDRKVLRK-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.15
Rot. Bonds4

About 4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid

4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 66221632) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID66221632
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESO=C(Cc1cccc(O)c1)NC1COCC1C(=O)O
InChIInChI=1S/C13H15NO5/c15-9-3-1-2-8(4-9)5-12(16)14-11-7-19-6-10(11)13(17)18/h1-4,10-11,15H,5-7H2,(H,14,16)(H,17,18)
InChIKeySPTXUIVDRKVLRK-UHFFFAOYSA-N
XLogP0.15
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66223322
(3R,4R)-4-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid
CID 175653873
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107
2-(3-hydroxyphenyl)-N-(2-methylcyclopentyl)acetamide
CID 63279410
N-(2,3-dimethylcyclopentyl)-2-(3-hydroxyphenyl)acetamide
CID 64921822
4-[[2-(4-nitrophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66220760
4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66222666
4-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]oxolane-3-carboxylic acid
CID 66223325
4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid
CID 66222677
4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66221815
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]oxolane-3-carboxylic acid
CID 66238523
4-[(3-cyanophenyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66239975

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid (CID 66221632) is 4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid is O=C(Cc1cccc(O)c1)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is SPTXUIVDRKVLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-9-3-1-2-8(4-9)5-12(16)14-11-7-19-6-10(11)13(17)18/h1-4,10-11,15H,5-7H2,(H,14,16)(H,17,18).
What are the key properties of 4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid?
4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66221632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).